7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinoline

C17H20ClN3O — CID 155213774

IUPAC7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinoline
SMILESCCOCc1nc2cnc3cc(Cl)ccc3c2n1CC(C)C
InChIInChI=1S/C17H20ClN3O/c1-4-22-10-16-20-15-8-19-14-7-12(18)5-6-13(14)17(15)21(16)9-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyLJRKFYJEGIYILP-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.43
Rot. Bonds5

About 7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinoline

7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinoline (PubChem CID 155213774) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinoline
PubChem CID155213774
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinoline
SMILESCCOCc1nc2cnc3cc(Cl)ccc3c2n1CC(C)C
InChIInChI=1S/C17H20ClN3O/c1-4-22-10-16-20-15-8-19-14-7-12(18)5-6-13(14)17(15)21(16)9-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyLJRKFYJEGIYILP-UHFFFAOYSA-N
XLogP4.43
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinoline?
The IUPAC name of 7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinoline (CID 155213774) is 7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinoline.
What is the SMILES notation for 7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinoline?
The canonical SMILES for 7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinoline is CCOCc1nc2cnc3cc(Cl)ccc3c2n1CC(C)C.
What is the InChIKey of 7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinoline?
The InChIKey is LJRKFYJEGIYILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-4-22-10-16-20-15-8-19-14-7-12(18)5-6-13(14)17(15)21(16)9-11(2)3/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinoline?
7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinoline has a molecular weight of 317.82 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinoline is sourced from PubChem (CID 155213774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).